N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

C21H23N3OS — CID 3514813

IUPACN-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3cccs3)cc2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H23N3OS/c1-15-9-11-17(12-10-15)24-19(14-18(23-24)20-8-5-13-26-20)21(25)22-16-6-3-2-4-7-16/h5,8-14,16H,2-4,6-7H2,1H3,(H,22,25)
InChIKeyKYTSIHGISDIVEP-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.97
Rot. Bonds4

About N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 3514813) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID3514813
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3cccs3)cc2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H23N3OS/c1-15-9-11-17(12-10-15)24-19(14-18(23-24)20-8-5-13-26-20)21(25)22-16-6-3-2-4-7-16/h5,8-14,16H,2-4,6-7H2,1H3,(H,22,25)
InChIKeyKYTSIHGISDIVEP-UHFFFAOYSA-N
XLogP4.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762130
N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812752
3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5038891
N-butyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514814
1-(4-methylphenyl)-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812787
N'-(cyclohexanecarbonyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
CID 8839263
1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267654
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267659
1-(3-methylphenyl)-N-(2-oxoazepan-3-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762100
(6R)-N-cyclopentyl-6-methyl-5-(4-methylphenyl)-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062745
ethyl 1-[1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]piperidine-3-carboxylate
CID 42761799
1-(4-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7495251

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (CID 3514813) is N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is Cc1ccc(-n2nc(-c3cccs3)cc2C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is KYTSIHGISDIVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15-9-11-17(12-10-15)24-19(14-18(23-24)20-8-5-13-26-20)21(25)22-16-6-3-2-4-7-16/h5,8-14,16H,2-4,6-7H2,1H3,(H,22,25).
What are the key properties of N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 3514813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).